SCHEMBL8552580

SCHEMBL8552580

Cc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.65
HTR1A P08908 2/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
HTR4 Q13639 1/20 0.47
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APEX1 P27695 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8547488 0.89 HTR1F (0.53) HTR1FMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8552089 0.89 HTR1F (0.52) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL8549636 0.87 HTR1F (0.51) HTR1FHTR1AHTR1DHTR1BMAPT
SCHEMBL8549211 0.87 HTR1F (0.49) HTR1FMAPTRAB9AKDM4EALDH1A1
SCHEMBL8548549 0.86 HTR1F (0.50) HTR1FHTR1AMAPTTP53SMN1; SMN2
SCHEMBL8548442 0.86 HTR1F (0.48) HTR1FHTR1AMAPTTP53SMN1; SMN2
SCHEMBL8709033 0.85 HTR1F (0.48) HTR1FMAPTTP53MEN1KMT2A
SCHEMBL8549838 0.83 ALDH1A1 (0.47) HTR1FHTR6MAPTTP53SMN1; SMN2
SCHEMBL8548445 0.82 HTR1F (0.45) HTR1FHTR1AMAPTTP53SMN1; SMN2
SCHEMBL8548295 0.80 RAB9A (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed